6-(2-methylphenyl)-1,2,3,4-tetrahydronaphthalen-1-ol

C17H18O — CID 169410347

IUPAC6-(2-methylphenyl)-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESCc1ccccc1-c1ccc2c(c1)CCCC2O
InChIInChI=1S/C17H18O/c1-12-5-2-3-7-15(12)14-9-10-16-13(11-14)6-4-8-17(16)18/h2-3,5,7,9-11,17-18H,4,6,8H2,1H3
InChIKeyDUETWDNSAGADOR-UHFFFAOYSA-N
MW238.33 g/mol
LogP4.03
Rot. Bonds1

About 6-(2-methylphenyl)-1,2,3,4-tetrahydronaphthalen-1-ol

6-(2-methylphenyl)-1,2,3,4-tetrahydronaphthalen-1-ol (PubChem CID 169410347) has the molecular formula C17H18O and a molecular weight of 238.33 g/mol. Its IUPAC name is 6-(2-methylphenyl)-1,2,3,4-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name6-(2-methylphenyl)-1,2,3,4-tetrahydronaphthalen-1-ol
PubChem CID169410347
Molecular FormulaC17H18O
Molecular Weight238.33 g/mol
Exact Mass238.14
IUPAC Name6-(2-methylphenyl)-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESCc1ccccc1-c1ccc2c(c1)CCCC2O
InChIInChI=1S/C17H18O/c1-12-5-2-3-7-15(12)14-9-10-16-13(11-14)6-4-8-17(16)18/h2-3,5,7,9-11,17-18H,4,6,8H2,1H3
InChIKeyDUETWDNSAGADOR-UHFFFAOYSA-N
XLogP4.03
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methylphenyl)-1,2,3,4-tetrahydronaphthalen-1-ol?
The IUPAC name of 6-(2-methylphenyl)-1,2,3,4-tetrahydronaphthalen-1-ol (CID 169410347) is 6-(2-methylphenyl)-1,2,3,4-tetrahydronaphthalen-1-ol.
What is the SMILES notation for 6-(2-methylphenyl)-1,2,3,4-tetrahydronaphthalen-1-ol?
The canonical SMILES for 6-(2-methylphenyl)-1,2,3,4-tetrahydronaphthalen-1-ol is Cc1ccccc1-c1ccc2c(c1)CCCC2O.
What is the InChIKey of 6-(2-methylphenyl)-1,2,3,4-tetrahydronaphthalen-1-ol?
The InChIKey is DUETWDNSAGADOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O/c1-12-5-2-3-7-15(12)14-9-10-16-13(11-14)6-4-8-17(16)18/h2-3,5,7,9-11,17-18H,4,6,8H2,1H3.
What are the key properties of 6-(2-methylphenyl)-1,2,3,4-tetrahydronaphthalen-1-ol?
6-(2-methylphenyl)-1,2,3,4-tetrahydronaphthalen-1-ol has a molecular weight of 238.33 g/mol, XLogP of 4.03, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylphenyl)-1,2,3,4-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 169410347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).